(2-methylphenyl)-[2-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone

Systemtic Name: (2-methylphenyl)-[2-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone Openeye Name: o-tolyl-[2-[(1-pyrrolidin-1-ylsulfonyl-4-piperidyl)methylamino]thiazol-5-yl]methanone CAS Name: (2-methylphenyl)-[2-[[1-(1-pyrrolidinylsulfonyl)-4-piperidinyl]methylamino]-5-thiazolyl]methanone IUPAC Name: (2-methylphenyl)-[2-[(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methylamino]-1,3-thiazol-5-yl]methanone Traditional Name: o-tolyl-[2-[(1-pyrrolidinosulfonyl-4-piperidyl)methylamino]thiazol-5-yl]methanone Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CN=C(S2)NCC3CCN(CC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CN=C(S2)NCC3CCN(CC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O3S2/c1-16-6-2-3-7-18(16)20(26)19-15-23-21(29-19)22-14-17-8-12-25(13-9-17)30(27,28)24-10-4-5-11-24/h2-3,6-7,15,17H,4-5,8-14H2,1H3,(H,22,23)